4-hydroxymethyl-2-methyl-8-[2'-(1-tert-butyl-1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-5,8-dihydro-6H-pyrido[2,3-d]pyrimidin-7-one
기본 정보
- 표준 SMILES
Cc1nc(CO)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nnnn3C(C)(C)C)cc1)C(=O)CC2- InChIKey
WWHFPZCKKDLHFB-UHFFFAOYSA-N- 분자식
- C27H29N7O2
- 평균 분자량
- 483.6 g/mol
이름 및 식별자
- 우선 이름
- 4-hydroxymethyl-2-methyl-8-[2'-(1-tert-butyl-1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-5,8-dihydro-6H-pyrido[2,3-d]pyrimidin-7-one
- IUPAC
- 8-[[4-[2-(1-tert-butyltetrazol-5-yl)phenyl]phenyl]methyl]-4-(hydroxymethyl)-2-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
이름 및 동의어
SCHEMBL7435661WWHFPZCKKDLHFB-UHFFFAOYSA-N4-Hydroxymethyl-2-methyl-8-[2'-(1 -tert-butyl-1H-tetrazol-5-yl)biphenyl-4ylmethyl]-5,8-dihydro-6H-pyrido[2,3-d]pyrimidin-7-one4-hydroxymethyl-2-methyl-8-[2'-(1-tert-butyl-1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-5,8-dihydro-6H-pyrido[2,3-d]pyrimidin-7-one
데이터베이스 식별자
- PubChem CID
- 19373002
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 753
관련 반응
4건
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