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기본 정보
- 표준 SMILES
COC(=O)CCCSc1c2c(=O)n(C)c(=O)n(CC(C)C)c2cn1Cc1cccc2ccccc12- InChIKey
HLBHHRWDKUQESF-UHFFFAOYSA-N- 분자식
- C27H31N3O4S
- 평균 분자량
- 493.6 g/mol
이름 및 식별자
- 우선 이름
- Methyl 4-[(2,3,4,6-tetrahydro-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4-dioxo-1h-pyrrolo[3,4-d]pyrimidin-5-yl)thio]butanoate
- IUPAC
- methyl 4-[3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrrolo[3,4-d]pyrimidin-5-yl]sulfanylbutanoate
이름 및 동의어
SCHEMBL7057842HLBHHRWDKUQESF-UHFFFAOYSA-Nmethyl 4-[(2,3,4,6-Tetrahydro-3-mehyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4-dioxo-1H-pyrrolo[3,4-d]-pyrimidin-5-yl)thio]butanoatemethyl 4-[(2,3,4,6-Tetrahydro-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4-dioxo-1H-pyrrolo[3,4-d]-pyrimidin-5-yl)thio]butanoatemethyl 4-[(2,3,4,6-tetrahydro-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4-dioxo-1h-pyrrolo[3,4-d]pyrimidin-5-yl)thio]butanoatemethyl 4-[(2,3,4,6-Tetrahydro-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4dioxo-1H-pyrrolo[3,4-d]-pyrimidin-5-yl)thio]butanoatemethyl 4[(2,3,4,6-Tetrahydro-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-2,4-dioxo-1H-pyrrolo[3,4-d]-pyrimidin-5-yl)thio]butanoate
데이터베이스 식별자
- PubChem CID
- 9913628
물성
구조 계산 물성보충 중
- XLogP
- 4.8
- 극성 표면적
- 97.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 778
관련 반응
6건
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