기본 정보
- 표준 SMILES
COC(=O)CCSC(SCCC(=O)N(C)C)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1- InChIKey
LKJDBNVYDOBYMF-UHFFFAOYSA-N- 분자식
- C27H29ClN2O3S2
- 평균 분자량
- 529.1 g/mol
이름 및 식별자
- 우선 이름
- (+)-Methyl 5-(3-(2-(7-chloroquinolin-2-yl)ethenyl)phenyl)-8-dimethylcarbamyl-4,6-dithiaoctanoate
- IUPAC
- methyl 3-[[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoate
이름 및 동의어
SCHEMBL9258254LKJDBNVYDOBYMF-UHFFFAOYSA-N(+)-methyl 5-(3-(2-(7-chloroquinolin-2-yl)ethenyl)phenyl)-8-dimethylcarbamyl-4,6-dithiaoctanoate(+)-methyl 5-(3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)-8-dimethylcarbamyl-4,6-dithiaoctanoate(-)-methyl 5-(3-(2-(7-chloro-quinolin-2-yl)ethenyl)phenyl)-8-dimethylcarbamyl-4,6-dithiaoctanoate(-)-methyl 5-(3-(2-(7-chloroquinolin-2-yl)ethenyl)phenyl)-8-dimethylcarbamyl-4,6-dithiaoctanoate(-)-methyl 5-(3-(2-(7-chloroquinoline--yl)ethenyl)phenyl)-8-dimethylcarbamyl-4,6-dithiaoctanoate
데이터베이스 식별자
- PubChem CID
- 86743269
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 708
관련 반응
10건
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