기본 정보
- 표준 SMILES
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)C(N)C3SC2)s1- InChIKey
HJSGHKMSDOLGJJ-UHFFFAOYSA-N- 분자식
- C11H12N4O3S3
- 평균 분자량
- 344.4 g/mol
이름 및 식별자
- 우선 이름
- 7-Amino-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- IUPAC
- 7-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
이름 및 동의어
7-AMINO-3-[(5-METHYL-1,3,4-THIADIAZOL-2-YL)THIOMETHYL]CEPHALOSPHORANIC ACIDC11H12N4O3S3BAS 04381612MFCD030372177-amino-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidCefazedone Impurity 15orb2663236SCHEMBL9342574HJSGHKMSDOLGJJ-UHFFFAOYSA-NSTK177299AKOS000714989AKOS022061013
이름 더 보기
SB506207-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidLS-13943DB-047731SR-01000318633SR-01000318633-17-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-ylthio)methyl]-3-cephem-4-carboxylic Acid, 99%3-[(2-methyl-1,3,4-thiadiazol-5-yl-thio)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
데이터베이스 식별자
- PubChem CID
- 3149822
- Nikkaji
- J1.103.174I
물성
구조 계산 물성
- XLogP
- -3.2
- 극성 표면적
- 188 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 515
관련 반응
13건
연결된 노트
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